1-Methylpyrrolidin-3-ol

1-Methyl-3-pyrrolidinol

HCID 93074CAS 13220-33-2

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CN1CCC(O)C1
InChIKey: FLVFPAIGVBQGET-UHFFFAOYSA-N
Summenformel: C5H11NO
Durchschnittliche Molmasse: 101,15 g/mol
Monoisotopische Masse: 101,08406397

Namen und Bezeichner

Bevorzugter Name: 1-Methyl-3-pyrrolidinol
IUPAC: 1-methylpyrrolidin-3-ol
Lokaler Name: 1-Methylpyrrolidin-3-ol
Englischer Name: 1-Methyl-3-pyrrolidinol
Summenformel: C5H11NO
Molmasse: 101.15

Namen und Synonyme

1-Methyl-3-pyrrolidinol13220-33-21-Methylpyrrolidin-3-ol3-Hydroxy-1-methylpyrrolidineN-Methyl-3-pyrrolidinol3-Pyrrolidinol, 1-methyl-3-hydroxy-n-methylpyrrolidineUNII-CGW2AL7PQ7CGW2AL7PQ7N-METHYL-3-HYDROXYPYRROLIDINEEINECS 236-189-3NSC 89279

Weitere Namen anzeigen

1-METHYL-PYRROLIDIN-3-OL3-Hydroxy-1-methyLN-Methyl-3-hydroxy-1-Methyl-3-pyrrolidiN-methyl-3-pyrrolitolN-Methyl-pyrrolidin-3-ol

NSC-892791-METHYL-3-HYDROXYPYRROLIDINEDTXSID108643771Methylpyrrolidin3olRefChem:762883Hydroxy1methylpyrrolidineDTXCID40812902FLVFPAIGVBQGET-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 13220-33-2
PubChem CID: 93074
DTXSID: DTXSID10864377
ChEMBL: CHEMBL4752499
UNII: CGW2AL7PQ7
EC Number: 236-189-3
Nikkaji: J149.939D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,2
Polarare Oberfläche (TPSA): 23,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 65,1

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Amino Alcohols, Other

Physical DescriptionColorless or pale yellow liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Siedepunkt: 50 · 50-52 °C1 mm Hg(lit.)
Dichte: 0.921 g/mL · 0.921 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.464(lit.)
Flammpunkt: 159 °F · 159 °F
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Oil
pka: 14.95 · 14.95±0.20(Predicted)
Farbe: Colourless
InChI: InChI=1S/C5H11NO/c1-6-3-2-5(7)4-6/h5,7H,2-4H2,1H3
InChIKey: FLVFPAIGVBQGET-UHFFFAOYSA-N
SMILES: N1(C)CCC(O)C1
CAS Datenbank: 13220 · 13220-33-2(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-Methyl-3-pyrrolidinol(13220-33-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 1.9% (1 of 53) of reports.

Warning

H315 (96.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.